⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14362121 | 1.00 | — | — | |
| SCHEMBL16534583 | 1.00 | — | — | |
| SCHEMBL10527801 | 1.00 | — | — | |
| SCHEMBL563490 | 1.00 | — | — | |
| SCHEMBL3756290 | 1.00 | — | — | |
| SCHEMBL180919 | 1.00 | — | — | |
| SCHEMBL1139908 | 1.00 | — | — | |
| SCHEMBL585520 | 1.00 | — | — | |
| SCHEMBL1140387 | 1.00 | — | — | |
| SCHEMBL181001 | 1.00 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7667040-B2 | Azacyclic ethynyl derivatives | NEUROSEARCH A/S (DK) | 2010-02-23 | — | — | US | disclosed |
| US-20080188519-A1 | Novel azacyclic ethynyl derivatives | ANIONA APS (DK) | 2008-08-07 | — | — | US | disclosed |
| EP-1506205-B1 | NOVEL AZACYCLIC ETHYNYL DERIVATIVES | NEUROSEARCH AS (DK) | 2008-07-16 | — | — | EP | disclosed |
| US-7378526-B2 | Azacyclic ethynyl derivatives | NEUROSEARCH A/S (DK) | 2008-05-27 | — | — | US | disclosed |
| US-20050171078-A1 | Novel azacyclic ethynyl derivatives | NEUROSEARCH (DK) | 2005-08-04 | — | — | US | disclosed |
| EP-1506205-A2 | NOVEL AZACYCLIC ETHYNYL DERIVATIVES | NEUROSEARCH A/S (DK) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003094830-A2 | NOVEL AZACYCLIC ETHYNYL DERIVATIVES | NEUROSEARCH A/S (DK) | 2003-11-20 | — | — | WO | disclosed |